2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate

C14H12NO3- — CID 22933228

IUPAC2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCc1oc(/C=C/c2ccccc2)nc1CC(=O)[O-]
InChIInChI=1S/C14H13NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)/p-1/b8-7+
InChIKeyJXWBMJHCIPVTFX-BQYQJAHWSA-M
MW242.25 g/mol
LogP1.45
Rot. Bonds4

About 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate

2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (PubChem CID 22933228) has the molecular formula C14H12NO3- and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Name2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
PubChem CID22933228
Molecular FormulaC14H12NO3-
Molecular Weight242.25 g/mol
Exact Mass242.08
IUPAC Name2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCc1oc(/C=C/c2ccccc2)nc1CC(=O)[O-]
InChIInChI=1S/C14H13NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)/p-1/b8-7+
InChIKeyJXWBMJHCIPVTFX-BQYQJAHWSA-M
XLogP1.45
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid
CID 13282954
propanedioate;(E)-stilbene
CID 19773481
[2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 54141260
[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 13282931
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161
[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
CID 54227597
acetic acid;stilbene
CID 172803728
5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82338003
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
2-[2-[5-methyl-2-(2-phenylethenyl)-1,3-oxazol-4-yl]ethoxy]-2-(2,2,3,3,3-pentafluoropropanoyl)-3,4-dihydro-1H-isoquinolin-2-ium-1-carboxylic acid
CID 91286623

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The IUPAC name of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (CID 22933228) is 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The canonical SMILES for 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is Cc1oc(/C=C/c2ccccc2)nc1CC(=O)[O-].
What is the InChIKey of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The InChIKey is JXWBMJHCIPVTFX-BQYQJAHWSA-M. The full InChI is InChI=1S/C14H13NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)/p-1/b8-7+.
What are the key properties of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate has a molecular weight of 242.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 22933228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).